(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

C20H21N5O — CID 129403536

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1nncn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C20H21N5O/c1-15(24-12-11-16-7-5-6-10-18(16)24)20(26)21-13-19-23-22-14-25(19)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyONQBZWLGAUEOPK-HNNXBMFYSA-N
MW347.42 g/mol
LogP2.33
Rot. Bonds5

About (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 129403536) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID129403536
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1nncn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C20H21N5O/c1-15(24-12-11-16-7-5-6-10-18(16)24)20(26)21-13-19-23-22-14-25(19)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyONQBZWLGAUEOPK-HNNXBMFYSA-N
XLogP2.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 129403536) is (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is C[C@@H](C(=O)NCc1nncn1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is ONQBZWLGAUEOPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15(24-12-11-16-7-5-6-10-18(16)24)20(26)21-13-19-23-22-14-25(19)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 129403536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).